Citation: Mingjun Zhong, Qimeng Wu, Liang Ma, Jie Li, Yifan Wang, Yansong Wang, Xin Li, Yajie Zhang, Jingtao Lü, Yongfeng Wang. Spin-related electronic pathway through single molecule on Au(111)[J]. Chinese Chemical Letters, ;2023, 34(1): 107813. doi: 10.1016/j.cclet.2022.107813 shu

Spin-related electronic pathway through single molecule on Au(111)

Mingjun Zhong ^a ,
Qimeng Wu ^a ,
Liang Ma ^{b, *,} ,
Jie Li ^a ,
Yifan Wang ^a ,
Yansong Wang ^a ,
Xin Li ^a ,
Yajie Zhang ^{a, *,} ,
Jingtao Lü ^{c, *,} ,
Yongfeng Wang ^{a, d, e, **,}

a.
Center for Carbon-based Electronics and Key Laboratory for the Physics and Chemistry of Nanodevices, Department of Electronics, Peking University, Beijing 100871, China
b.
Key Laboratory for Microstructural Material Physics of Hebei Province, School of Science, Yanshan University, Qinhuangdao 066004, China
c.
School of Physics, Institute for Quantum Science and Engineering, and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China
d.
Beijing Academy of Quantum Information Sciences, Beijing 100193, China
e.
Institute of Spin Science and Technology, South China University of Technology, Guangzhou 511442, China

^**

maliang-phy@ysu.edu.cn

yjzhang11@pku.edu.cn

jtlu@hust.edu.cn

yongfengwang@pku.edu.cn

Received Date: 17 May 2022
Revised Date: 5 September 2022
Accepted Date: 6 September 2022
Available Online: 10 September 2022

Figures(4)

Spin properties of organic molecules have attracted great interest for their potential applications in spintronic devices and quantum computing. Fe-tetraphenyl porphyrin (FeTPP) is of particular interest for its robust magnetic properties on metallic substrates. FeTPP is prepared in vacuum via on-surface synthesis. Molecular structure and spin-related transport properties are characterized by low-temperature scanning tunneling microscope and spectroscopy at 0.5 K. Density functional theory calculations are performed to understand molecular adsorption and spin distribution on Au(111). The molecular structure of FeTPP is distorted upon adsorption on the substrate. Spin excitations of FeTPP are observed on the Fe atom and high pyrrole groups in differential conductance spectra. The calculated spin density distribution indicates that the electron spin of FeTPP is mainly distributed on the Fe atom. The atomic transmission calculation indicates that electrons transport to substrate is mediated through Fe atom, when the tip is above the high pyrrole group.
- Spintronics,
- Spin excitation,
- Atomic transmission,
- Fe-tetraphenyl porphyrin,
- STM
1. [1]
  L. Guo, X. Gu, X. Zhu, et al., Adv. Mater. 31 (2019) 1805355. doi: 10.1002/adma.201805355
2. [2]
  W.J. Cho, Y. Cho, S.K. Min, et al., J. Am. Chem. Soc. 133 (2011) 9364–9369. doi: 10.1021/ja111565w
3. [3]
  J. Camarero, E. Coronado, J. Mater. Chem. 19 (2009) 1678–1684. doi: 10.1039/b819594n
4. [4]
  N. Tsukahara, K. Noto, M. Ohara, et al., Phys. Rev. Lett. 102 (2009) 167203. doi: 10.1103/PhysRevLett.102.167203
5. [5]
  L. Bogani, W. Wernsdorfer, Nat. Mater. 7 (2008) 179–186. doi: 10.1038/nmat2133
6. [6]
  K. Yang, H. Chen, T. Pope, et al., Nat. Commun. 10 (2019) 1–7. doi: 10.1038/s41467-018-07882-8
7. [7]
  H. Kim, Y.H. Chang, S.H. Lee, et al., ACS Nano 7 (2013) 9312–9317. doi: 10.1021/nn4039595
8. [8]
  R. Li, N. Li, H. Wang, et al., Chem. Commun. 54 (2018) 9135–9138. doi: 10.1039/C8CC02994F
9. [9]
  S. Karan, N. Li, Y. Zhang, et al., Phys. Rev. Lett. 116 (2016) 027201. doi: 10.1103/PhysRevLett.116.027201
10. [10]
  N. Tsukahara, S. Shiraki, S. Itou, et al., Phys. Rev. Lett. 106 (2011) 187201. doi: 10.1103/PhysRevLett.106.187201
11. [11]
  K. Katoh, H. Isshiki, T. Komeda, et al., Chem. Asian J. 7 (2012) 1154–1169. doi: 10.1002/asia.201100992
12. [12]
  J. Liu, Y. Gao, T. Wang, et al., ACS Nano 14 (2020) 11283–11293. doi: 10.1021/acsnano.0c03163
13. [13]
  R. Li, N. Xue, X. Zhang, et al., J. Phys. Chem. C 125 (2021) 5581–5586. doi: 10.1021/acs.jpcc.0c11113
14. [14]
  Z. Xu, J. Liu, S. Hou, et al., Nanomaterials 10 (2020) 2393. doi: 10.3390/nano10122393
15. [15]
  Y. Zhang, Y. Wang, P. Liao, et al., ACS Nano 12 (2018) 2991–2997. doi: 10.1021/acsnano.8b00751
16. [16]
  J. Liu, J. Li, Q. Chen, et al., Chem. Mater. 33 (2021) 6166–6175. doi: 10.1021/acs.chemmater.1c01798
17. [17]
  J. Otsuki, Coordin. Chem. Rev. 254 (2010) 2311–2341. doi: 10.1016/j.ccr.2009.12.038
18. [18]
  D. Rolf, C. Lotze, C. Czekelius, et al., J. Phys. Chem. Lett. 9 (2018) 6563–6567. doi: 10.1021/acs.jpclett.8b03036
19. [19]
  Y.F. Wang, J. Kröger, R. Berndt, et al., Phys. Rev. Lett. 104 (2010) 176802. doi: 10.1103/PhysRevLett.104.176802
20. [20]
  W. Auwärter, A. Weber-Bargioni, S. Brink, et al., ChemPhysChem 8 (2007) 250–254. doi: 10.1002/cphc.200600675
21. [21]
  G. Simonneaux, W.F. Scholz, C.A. Reed, et al., BBA-Gen. Subjects 716 (1982) 1–7. doi: 10.1016/0304-4165(82)90195-7
22. [22]
  G. Kresse, J. Furthmüller, Phys. Rev. B 54 (1996) 11169. doi: 10.1103/PhysRevB.54.11169
23. [23]
  J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865. doi: 10.1103/PhysRevLett.77.3865
24. [24]
  M. Brandbyge, J.L. Mozos, P. Ordejón, et al., Phys. Rev. B 65 (2002) 165401. doi: 10.1103/PhysRevB.65.165401
25. [25]
  N. Papior, N. Lorente, T. Frederiksen, et al., Comput. Phys. Commun. 212 (2017) 8–24. doi: 10.1016/j.cpc.2016.09.022
26. [26]
  C. Rubio-Verdú, A. Sarasola, D.J. Choi, et al., Commun. Phys. 1 (2018) 1–7. doi: 10.1038/s42005-017-0001-4
27. [27]
  M. Ternes, New. J. Phys. 17 (2015) 063016. doi: 10.1088/1367-2630/17/6/063016
28. [28]
  F. Delgado, J. Fernández-Rossier, Phys. Rev. B 84 (2011) 045439. doi: 10.1103/PhysRevB.84.045439
1. [1]
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2. [2]
  Lei Shen , Yang Zhang , Linlin Zhang , Chuanwang Liu , Zhixian Ma , Kangjiang Liang , Chengfeng Xia . Phenylhydrazone anions excitation for the photochemical carbonylation of aryl iodides with aldehydes. Chinese Chemical Letters, 2024, 35(4): 108742-. doi: 10.1016/j.cclet.2023.108742
3. [3]
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4. [4]
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5. [5]
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6. [6]
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7. [7]
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8. [8]
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9. [9]
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10. [10]
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12. [12]
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13. [13]
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14. [14]
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15. [15]
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16. [16]
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18. [18]
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19. [19]
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